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CHEBI:209588 - Calphostin I

ChEBI IDCHEBI:209588
ChEBI NameCalphostin I
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SubmitterMetaboLights
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FormulaC44H38O14
Net Charge0
Average Mass790.774
Monoisotopic Mass790.22616
SMILESCOc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c(CC(C)OC(=O)c6ccc(O)cc6)c(c(c1CC(C)OC(=O)c1ccc(O)cc1)c23)c54
InChIInChI=1S/C44H38O14/c1-19(57-43(51)21-7-11-23(45)12-8-21)15-25-31-32-26(16-20(2)58-44(52)22-9-13-24(46)14-10-22)42(56-6)40(50)34-28(48)18-30(54-4)36(38(32)34)35-29(53-3)17-27(47)33(37(31)35)39(49)41(25)55-5/h7-14,17-20,45-46,49-50H,15-16H2,1-6H3
InChIKeyHSJXAUQPKRJJOU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cladosporium cladosporioides (ncbitaxon:29917) - PubMed (2478514)
ChEBI Ontology
Outgoing Relation(s)
Calphostin I (CHEBI:209588) is a naphthalenone (CHEBI:25479)
IUPAC Name 
1-[3,10-dihydroxy-12-[2-(4-hydroxybenzoyl)oxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl 4-hydroxybenzoate
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